N-(2-methoxyethyl)-8-(3-methoxyphenyl)-7-oxo-N-(thiophen-2-ylmethyl)thieno[2,3-a]quinolizine-10-carboxamide

C27H24N2O4S2 — CID 56612145

About N-(2-methoxyethyl)-8-(3-methoxyphenyl)-7-oxo-N-(thiophen-2-ylmethyl)thieno[2,3-a]quinolizine-10-carboxamide

N-(2-methoxyethyl)-8-(3-methoxyphenyl)-7-oxo-N-(thiophen-2-ylmethyl)thieno[2,3-a]quinolizine-10-carboxamide (PubChem CID 56612145) has the molecular formula C27H24N2O4S2 and a molecular weight of 504.63 g/mol. Its IUPAC name is N-(2-methoxyethyl)-8-(3-methoxyphenyl)-7-oxo-N-(thiophen-2-ylmethyl)thieno[2,3-a]quinolizine-10-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-8-(3-methoxyphenyl)-7-oxo-N-(thiophen-2-ylmethyl)thieno[2,3-a]quinolizine-10-carboxamide
• PubChem CID: 56612145
• Molecular Formula: C27H24N2O4S2
• Molecular Weight: 504.63 g/mol
• Exact Mass: 504.12
• IUPAC Name: N-(2-methoxyethyl)-8-(3-methoxyphenyl)-7-oxo-N-(thiophen-2-ylmethyl)thieno[2,3-a]quinolizine-10-carboxamide
• SMILES: COCCN(Cc1cccs1)C(=O)c1cc(-c2cccc(OC)c2)c(=O)n2ccc3ccsc3c12
• InChI: InChI=1S/C27H24N2O4S2/c1-32-12-11-28(17-21-7-4-13-34-21)26(30)23-16-22(19-5-3-6-20(15-19)33-2)27(31)29-10-8-18-9-14-35-25(18)24(23)29/h3-10,13-16H,11-12,17H2,1-2H3
• InChIKey: BEYXVGAQISYVSH-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 60.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.63
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-8-(3-methoxyphenyl)-7-oxo-N-(thiophen-2-ylmethyl)thieno[2,3-a]quinolizine-10-carboxamide?

The IUPAC name of N-(2-methoxyethyl)-8-(3-methoxyphenyl)-7-oxo-N-(thiophen-2-ylmethyl)thieno[2,3-a]quinolizine-10-carboxamide (CID 56612145) is N-(2-methoxyethyl)-8-(3-methoxyphenyl)-7-oxo-N-(thiophen-2-ylmethyl)thieno[2,3-a]quinolizine-10-carboxamide.

What is the SMILES notation for N-(2-methoxyethyl)-8-(3-methoxyphenyl)-7-oxo-N-(thiophen-2-ylmethyl)thieno[2,3-a]quinolizine-10-carboxamide?

The canonical SMILES for N-(2-methoxyethyl)-8-(3-methoxyphenyl)-7-oxo-N-(thiophen-2-ylmethyl)thieno[2,3-a]quinolizine-10-carboxamide is COCCN(Cc1cccs1)C(=O)c1cc(-c2cccc(OC)c2)c(=O)n2ccc3ccsc3c12.

What is the InChIKey of N-(2-methoxyethyl)-8-(3-methoxyphenyl)-7-oxo-N-(thiophen-2-ylmethyl)thieno[2,3-a]quinolizine-10-carboxamide?

The InChIKey is BEYXVGAQISYVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4S2/c1-32-12-11-28(17-21-7-4-13-34-21)26(30)23-16-22(19-5-3-6-20(15-19)33-2)27(31)29-10-8-18-9-14-35-25(18)24(23)29/h3-10,13-16H,11-12,17H2,1-2H3.

What are the key properties of N-(2-methoxyethyl)-8-(3-methoxyphenyl)-7-oxo-N-(thiophen-2-ylmethyl)thieno[2,3-a]quinolizine-10-carboxamide?

N-(2-methoxyethyl)-8-(3-methoxyphenyl)-7-oxo-N-(thiophen-2-ylmethyl)thieno[2,3-a]quinolizine-10-carboxamide has a molecular weight of 504.63 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-8-(3-methoxyphenyl)-7-oxo-N-(thiophen-2-ylmethyl)thieno[2,3-a]quinolizine-10-carboxamide is sourced from PubChem (CID 56612145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).